2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid

C14H20FNO3 — CID 105379977

IUPAC2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
SMILESCCCCC(CC)COc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H20FNO3/c1-3-5-6-10(4-2)9-19-13-12(15)11(14(17)18)7-8-16-13/h7-8,10H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyQNVGJYMESWFPER-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.51
Rot. Bonds8

About 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid

2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105379977) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
PubChem CID105379977
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
SMILESCCCCC(CC)COc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H20FNO3/c1-3-5-6-10(4-2)9-19-13-12(15)11(14(17)18)7-8-16-13/h7-8,10H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyQNVGJYMESWFPER-UHFFFAOYSA-N
XLogP3.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
CID 114408651
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875
5-amino-2-(2-ethylhexoxy)benzoic acid
CID 54888104
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
CID 105379985
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid
CID 63884393
2-(2-ethylhexoxy)-3,4-bis(2-ethylhexyl)benzoic acid
CID 174999561
4-(2-ethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CID 141451805
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid (CID 105379977) is 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid is CCCCC(CC)COc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is QNVGJYMESWFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-3-5-6-10(4-2)9-19-13-12(15)11(14(17)18)7-8-16-13/h7-8,10H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid?
2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105379977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).